1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one

Systemtic Name: 1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one Openeye Name: 1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one CAS Name: 1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-propen-1-one IUPAC Name: 1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one Traditional Name: 1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1CCSC2=CC=CC=C2C1

Isomeric SMILES

C=CC(=O)N1CCSC2=CC=CC=C2C1

InChI

InChI=1S/C12H13NOS/c1-2-12(14)13-7-8-15-11-6-4-3-5-10(11)9-13/h2-6H,1,7-9H2